5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]pyrazole-4-carboxamide Openeye Name: 5-chloro-3-methyl-1-(p-tolylmethyl)-N-[2-(2-thienylmethylsulfanyl)ethyl]pyrazole-4-carboxamide CAS Name: 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[2-(thiophen-2-ylmethylthio)ethyl]-4-pyrazolecarboxamide IUPAC Name: 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]pyrazole-4-carboxamide Traditional Name: 5-chloro-3-methyl-1-(4-methylbenzyl)-N-[2-(2-thenylthio)ethyl]pyrazole-4-carboxamide Formula: C20H22ClN3OS2 MolecularWeight: 419.99118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NCCSCC3=CC=CS3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NCCSCC3=CC=CS3)Cl

InChI

InChI=1S/C20H22ClN3OS2/c1-14-5-7-16(8-6-14)12-24-19(21)18(15(2)23-24)20(25)22-9-11-26-13-17-4-3-10-27-17/h3-8,10H,9,11-13H2,1-2H3,(H,22,25)